sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate

C109H102Cl5F6N18NaO15S3 — CID 161204737

About sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate

sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate (PubChem CID 161204737) has the molecular formula C109H102Cl5F6N18NaO15S3 and a molecular weight of 2314.57 g/mol. Its IUPAC name is sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate
• PubChem CID: 161204737
• Molecular Formula: C109H102Cl5F6N18NaO15S3
• Molecular Weight: 2314.57 g/mol
• Exact Mass: 2310.52
• IUPAC Name: sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4Cl)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Cl)c3)cc2C(F)(F)F)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)O)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C=O)cnc32)cc1.O=Cc1cnc2[nH]ccc2c1Cl.[Na+]
• InChI: InChI=1S/C37H36ClF3N6O4S.C30H30ClF3N6O2.C15H11ClN2O4S.C15H11ClN2O3S.C8H5ClN2O.C4H9O.Na/c1-4-45-15-17-46(18-16-45)22-26-9-8-25(19-31(26)37(39,40)41)35(48)43-27-10-7-24(3)32(20-27)44-36(49)30-21-42-34-29(33(30)38)13-14-47(34)52(50,51)28-11-5-23(2)6-12-28;1-3-39-10-12-40(13-11-39)17-20-6-5-19(14-24(20)30(32,33)34)28(41)37-21-7-4-18(2)25(15-21)38-29(42)23-16-36-27-22(26(23)31)8-9-35-27;1-9-2-4-10(5-3-9)23(21,22)18-7-6-11-13(16)12(15(19)20)8-17-14(11)18;1-10-2-4-12(5-3-10)22(20,21)18-7-6-13-14(16)11(9-19)8-17-15(13)18;9-7-5(4-12)3-11-8-6(7)1-2-10-8;1-4(2,3)5;/h5-14,19-21H,4,15-18,22H2,1-3H3,(H,43,48)(H,44,49);4-9,14-16H,3,10-13,17H2,1-2H3,(H,35,36)(H,37,41)(H,38,42);2-8H,1H3,(H,19,20);2-9H,1H3;1-4H,(H,10,11);1-3H3;/q;;;;;-1;+1
• InChIKey: UVLHCWHKDRLLKD-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 437.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2314.57
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate?

The IUPAC name of sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate (CID 161204737) is sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate.

What is the SMILES notation for sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate?

The canonical SMILES for sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate is CC(C)(C)[O-].CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4Cl)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Cl)c3)cc2C(F)(F)F)CC1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)O)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C=O)cnc32)cc1.O=Cc1cnc2[nH]ccc2c1Cl.[Na+].

What is the InChIKey of sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate?

The InChIKey is UVLHCWHKDRLLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36ClF3N6O4S.C30H30ClF3N6O2.C15H11ClN2O4S.C15H11ClN2O3S.C8H5ClN2O.C4H9O.Na/c1-4-45-15-17-46(18-16-45)22-26-9-8-25(19-31(26)37(39,40)41)35(48)43-27-10-7-24(3)32(20-27)44-36(49)30-21-42-34-29(33(30)38)13-14-47(34)52(50,51)28-11-5-23(2)6-12-28;1-3-39-10-12-40(13-11-39)17-20-6-5-19(14-24(20)30(32,33)34)28(41)37-21-7-4-18(2)25(15-21)38-29(42)23-16-36-27-22(26(23)31)8-9-35-27;1-9-2-4-10(5-3-9)23(21,22)18-7-6-11-13(16)12(15(19)20)8-17-14(11)18;1-10-2-4-12(5-3-10)22(20,21)18-7-6-13-14(16)11(9-19)8-17-15(13)18;9-7-5(4-12)3-11-8-6(7)1-2-10-8;1-4(2,3)5;/h5-14,19-21H,4,15-18,22H2,1-3H3,(H,43,48)(H,44,49);4-9,14-16H,3,10-13,17H2,1-2H3,(H,35,36)(H,37,41)(H,38,42);2-8H,1H3,(H,19,20);2-9H,1H3;1-4H,(H,10,11);1-3H3;/q;;;;;-1;+1.

What are the key properties of sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate?

sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate has a molecular weight of 2314.57 g/mol, XLogP of 18.55, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carbaldehyde;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid;4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-methylpropan-2-olate is sourced from PubChem (CID 161204737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).